3-methyl-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]pentan-1-amine

C22H45N3 — CID 171748473

IUPAC3-methyl-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]pentan-1-amine
SMILESCCC(C)(CCNCC1(CC(C)C)CC1)CN1CCN(C(C)C)CC1
InChIInChI=1S/C22H45N3/c1-7-21(6,18-24-12-14-25(15-13-24)20(4)5)10-11-23-17-22(8-9-22)16-19(2)3/h19-20,23H,7-18H2,1-6H3
InChIKeyGQVNZVCSRKTBQY-UHFFFAOYSA-N
MW351.62 g/mol
LogP4.23
Rot. Bonds11

About 3-methyl-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]pentan-1-amine

3-methyl-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]pentan-1-amine (PubChem CID 171748473) has the molecular formula C22H45N3 and a molecular weight of 351.62 g/mol. Its IUPAC name is 3-methyl-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]pentan-1-amine
PubChem CID171748473
Molecular FormulaC22H45N3
Molecular Weight351.62 g/mol
Exact Mass351.36
IUPAC Name3-methyl-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]pentan-1-amine
SMILESCCC(C)(CCNCC1(CC(C)C)CC1)CN1CCN(C(C)C)CC1
InChIInChI=1S/C22H45N3/c1-7-21(6,18-24-12-14-25(15-13-24)20(4)5)10-11-23-17-22(8-9-22)16-19(2)3/h19-20,23H,7-18H2,1-6H3
InChIKeyGQVNZVCSRKTBQY-UHFFFAOYSA-N
XLogP4.23
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.62
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]pentan-1-amine?
The IUPAC name of 3-methyl-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]pentan-1-amine (CID 171748473) is 3-methyl-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]pentan-1-amine.
What is the SMILES notation for 3-methyl-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]pentan-1-amine?
The canonical SMILES for 3-methyl-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]pentan-1-amine is CCC(C)(CCNCC1(CC(C)C)CC1)CN1CCN(C(C)C)CC1.
What is the InChIKey of 3-methyl-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]pentan-1-amine?
The InChIKey is GQVNZVCSRKTBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3/c1-7-21(6,18-24-12-14-25(15-13-24)20(4)5)10-11-23-17-22(8-9-22)16-19(2)3/h19-20,23H,7-18H2,1-6H3.
What are the key properties of 3-methyl-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]pentan-1-amine?
3-methyl-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]pentan-1-amine has a molecular weight of 351.62 g/mol, XLogP of 4.23, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]pentan-1-amine is sourced from PubChem (CID 171748473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).