1-cyclopropyl-N-(cyclopropylmethyl)-N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanamine

C26H38N4 — CID 78150027

IUPAC1-cyclopropyl-N-(cyclopropylmethyl)-N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanamine
SMILESCC1=CC(CN(CC2CC2)CC2CC2)C(C(C)C)CC1Cc1nc2ccncc2[nH]1
InChIInChI=1S/C26H38N4/c1-17(2)23-11-21(12-26-28-24-8-9-27-13-25(24)29-26)18(3)10-22(23)16-30(14-19-4-5-19)15-20-6-7-20/h8-10,13,17,19-23H,4-7,11-12,14-16H2,1-3H3,(H,28,29)
InChIKeyHVYDMGZREQLYCH-UHFFFAOYSA-N
MW406.62 g/mol
LogP5.48
Rot. Bonds9

About 1-cyclopropyl-N-(cyclopropylmethyl)-N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanamine

1-cyclopropyl-N-(cyclopropylmethyl)-N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanamine (PubChem CID 78150027) has the molecular formula C26H38N4 and a molecular weight of 406.62 g/mol. Its IUPAC name is 1-cyclopropyl-N-(cyclopropylmethyl)-N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(cyclopropylmethyl)-N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanamine
PubChem CID78150027
Molecular FormulaC26H38N4
Molecular Weight406.62 g/mol
Exact Mass406.31
IUPAC Name1-cyclopropyl-N-(cyclopropylmethyl)-N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanamine
SMILESCC1=CC(CN(CC2CC2)CC2CC2)C(C(C)C)CC1Cc1nc2ccncc2[nH]1
InChIInChI=1S/C26H38N4/c1-17(2)23-11-21(12-26-28-24-8-9-27-13-25(24)29-26)18(3)10-22(23)16-30(14-19-4-5-19)15-20-6-7-20/h8-10,13,17,19-23H,4-7,11-12,14-16H2,1-3H3,(H,28,29)
InChIKeyHVYDMGZREQLYCH-UHFFFAOYSA-N
XLogP5.48
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.62
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(cyclopropylmethyl)-N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-(cyclopropylmethyl)-N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanamine (CID 78150027) is 1-cyclopropyl-N-(cyclopropylmethyl)-N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-(cyclopropylmethyl)-N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-(cyclopropylmethyl)-N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanamine is CC1=CC(CN(CC2CC2)CC2CC2)C(C(C)C)CC1Cc1nc2ccncc2[nH]1.
What is the InChIKey of 1-cyclopropyl-N-(cyclopropylmethyl)-N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanamine?
The InChIKey is HVYDMGZREQLYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4/c1-17(2)23-11-21(12-26-28-24-8-9-27-13-25(24)29-26)18(3)10-22(23)16-30(14-19-4-5-19)15-20-6-7-20/h8-10,13,17,19-23H,4-7,11-12,14-16H2,1-3H3,(H,28,29).
What are the key properties of 1-cyclopropyl-N-(cyclopropylmethyl)-N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanamine?
1-cyclopropyl-N-(cyclopropylmethyl)-N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanamine has a molecular weight of 406.62 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(cyclopropylmethyl)-N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanamine is sourced from PubChem (CID 78150027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).