N-[1-[2-(3-amino-2-methylpropyl)-1-(ethylamino)cyclopropyl]ethenyl]-2,2,4-trimethyl-8-propan-2-ylcyclononan-1-amine

C26H50N3+ — CID 90775512

IUPACN-[1-[2-(3-amino-2-methylpropyl)-1-(ethylamino)cyclopropyl]ethenyl]-2,2,4-trimethyl-8-propan-2-ylcyclononan-1-amine
SMILESC=C(NC1C[C+](C(C)C)CCCC(C)CC1(C)C)C1(NCC)CC1CC(C)CN
InChIInChI=1S/C26H50N3/c1-9-28-26(16-23(26)13-20(5)17-27)21(6)29-24-14-22(18(2)3)12-10-11-19(4)15-25(24,7)8/h18-20,23-24,28-29H,6,9-17,27H2,1-5,7-8H3/q+1
InChIKeyGBWKJBVHPMMZMA-UHFFFAOYSA-N
MW404.71 g/mol
LogP5.67
Rot. Bonds9

About N-[1-[2-(3-amino-2-methylpropyl)-1-(ethylamino)cyclopropyl]ethenyl]-2,2,4-trimethyl-8-propan-2-ylcyclononan-1-amine

N-[1-[2-(3-amino-2-methylpropyl)-1-(ethylamino)cyclopropyl]ethenyl]-2,2,4-trimethyl-8-propan-2-ylcyclononan-1-amine (PubChem CID 90775512) has the molecular formula C26H50N3+ and a molecular weight of 404.71 g/mol. Its IUPAC name is N-[1-[2-(3-amino-2-methylpropyl)-1-(ethylamino)cyclopropyl]ethenyl]-2,2,4-trimethyl-8-propan-2-ylcyclononan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3-amino-2-methylpropyl)-1-(ethylamino)cyclopropyl]ethenyl]-2,2,4-trimethyl-8-propan-2-ylcyclononan-1-amine
PubChem CID90775512
Molecular FormulaC26H50N3+
Molecular Weight404.71 g/mol
Exact Mass404.40
IUPAC NameN-[1-[2-(3-amino-2-methylpropyl)-1-(ethylamino)cyclopropyl]ethenyl]-2,2,4-trimethyl-8-propan-2-ylcyclononan-1-amine
SMILESC=C(NC1C[C+](C(C)C)CCCC(C)CC1(C)C)C1(NCC)CC1CC(C)CN
InChIInChI=1S/C26H50N3/c1-9-28-26(16-23(26)13-20(5)17-27)21(6)29-24-14-22(18(2)3)12-10-11-19(4)15-25(24,7)8/h18-20,23-24,28-29H,6,9-17,27H2,1-5,7-8H3/q+1
InChIKeyGBWKJBVHPMMZMA-UHFFFAOYSA-N
XLogP5.67
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.71
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-[2-(3-amino-2-methylpropyl)-1-(ethylamino)cyclopropyl]ethenyl]-2,2,4-trimethyl-8-propan-2-ylcyclononan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-amino-2-methylpropyl)-1-(ethylamino)cyclopropyl]ethenyl]-2,2,4-trimethyl-8-propan-2-ylcyclononan-1-amine?
The IUPAC name of N-[1-[2-(3-amino-2-methylpropyl)-1-(ethylamino)cyclopropyl]ethenyl]-2,2,4-trimethyl-8-propan-2-ylcyclononan-1-amine (CID 90775512) is N-[1-[2-(3-amino-2-methylpropyl)-1-(ethylamino)cyclopropyl]ethenyl]-2,2,4-trimethyl-8-propan-2-ylcyclononan-1-amine.
What is the SMILES notation for N-[1-[2-(3-amino-2-methylpropyl)-1-(ethylamino)cyclopropyl]ethenyl]-2,2,4-trimethyl-8-propan-2-ylcyclononan-1-amine?
The canonical SMILES for N-[1-[2-(3-amino-2-methylpropyl)-1-(ethylamino)cyclopropyl]ethenyl]-2,2,4-trimethyl-8-propan-2-ylcyclononan-1-amine is C=C(NC1C[C+](C(C)C)CCCC(C)CC1(C)C)C1(NCC)CC1CC(C)CN.
What is the InChIKey of N-[1-[2-(3-amino-2-methylpropyl)-1-(ethylamino)cyclopropyl]ethenyl]-2,2,4-trimethyl-8-propan-2-ylcyclononan-1-amine?
The InChIKey is GBWKJBVHPMMZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N3/c1-9-28-26(16-23(26)13-20(5)17-27)21(6)29-24-14-22(18(2)3)12-10-11-19(4)15-25(24,7)8/h18-20,23-24,28-29H,6,9-17,27H2,1-5,7-8H3/q+1.
What are the key properties of N-[1-[2-(3-amino-2-methylpropyl)-1-(ethylamino)cyclopropyl]ethenyl]-2,2,4-trimethyl-8-propan-2-ylcyclononan-1-amine?
N-[1-[2-(3-amino-2-methylpropyl)-1-(ethylamino)cyclopropyl]ethenyl]-2,2,4-trimethyl-8-propan-2-ylcyclononan-1-amine has a molecular weight of 404.71 g/mol, XLogP of 5.67, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-amino-2-methylpropyl)-1-(ethylamino)cyclopropyl]ethenyl]-2,2,4-trimethyl-8-propan-2-ylcyclononan-1-amine is sourced from PubChem (CID 90775512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).