6-[2-[2-(cyclopropylmethyl)-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide

C30H35N3 — CID 10296843

IUPAC6-[2-[2-(cyclopropylmethyl)-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(C3CC3c3ccc4c(c3)C(C(C)C)N(CC3CC3)CC4)ccc2c1
InChIInChI=1S/C30H35N3/c1-18(2)29-28-15-24(8-5-20(28)11-12-33(29)17-19-3-4-19)27-16-26(27)23-9-6-22-14-25(30(31)32)10-7-21(22)13-23/h5-10,13-15,18-19,26-27,29H,3-4,11-12,16-17H2,1-2H3,(H3,31,32)
InChIKeyUOGUMPWIYUOFPG-UHFFFAOYSA-N
MW437.63 g/mol
LogP6.36
Rot. Bonds6

About 6-[2-[2-(cyclopropylmethyl)-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide

6-[2-[2-(cyclopropylmethyl)-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide (PubChem CID 10296843) has the molecular formula C30H35N3 and a molecular weight of 437.63 g/mol. Its IUPAC name is 6-[2-[2-(cyclopropylmethyl)-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide.

Molecular Properties

Compound Name6-[2-[2-(cyclopropylmethyl)-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide
PubChem CID10296843
Molecular FormulaC30H35N3
Molecular Weight437.63 g/mol
Exact Mass437.28
IUPAC Name6-[2-[2-(cyclopropylmethyl)-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(C3CC3c3ccc4c(c3)C(C(C)C)N(CC3CC3)CC4)ccc2c1
InChIInChI=1S/C30H35N3/c1-18(2)29-28-15-24(8-5-20(28)11-12-33(29)17-19-3-4-19)27-16-26(27)23-9-6-22-14-25(30(31)32)10-7-21(22)13-23/h5-10,13-15,18-19,26-27,29H,3-4,11-12,16-17H2,1-2H3,(H3,31,32)
InChIKeyUOGUMPWIYUOFPG-UHFFFAOYSA-N
XLogP6.36
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(cyclopropylmethyl)-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide?
The IUPAC name of 6-[2-[2-(cyclopropylmethyl)-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide (CID 10296843) is 6-[2-[2-(cyclopropylmethyl)-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide.
What is the SMILES notation for 6-[2-[2-(cyclopropylmethyl)-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide?
The canonical SMILES for 6-[2-[2-(cyclopropylmethyl)-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc2cc(C3CC3c3ccc4c(c3)C(C(C)C)N(CC3CC3)CC4)ccc2c1.
What is the InChIKey of 6-[2-[2-(cyclopropylmethyl)-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide?
The InChIKey is UOGUMPWIYUOFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3/c1-18(2)29-28-15-24(8-5-20(28)11-12-33(29)17-19-3-4-19)27-16-26(27)23-9-6-22-14-25(30(31)32)10-7-21(22)13-23/h5-10,13-15,18-19,26-27,29H,3-4,11-12,16-17H2,1-2H3,(H3,31,32).
What are the key properties of 6-[2-[2-(cyclopropylmethyl)-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide?
6-[2-[2-(cyclopropylmethyl)-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide has a molecular weight of 437.63 g/mol, XLogP of 6.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(cyclopropylmethyl)-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 10296843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).