1-N',1-N"-dicyclopentyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine

C22H46N4 — CID 150472106

IUPAC1-N',1-N"-dicyclopentyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine
SMILESCCCCCCCCC(NC)C(NC)(NC1CCCC1)NC1CCCC1
InChIInChI=1S/C22H46N4/c1-4-5-6-7-8-9-18-21(23-2)22(24-3,25-19-14-10-11-15-19)26-20-16-12-13-17-20/h19-21,23-26H,4-18H2,1-3H3
InChIKeyHSABTTXAYMWKJQ-UHFFFAOYSA-N
MW366.64 g/mol
LogP4.26
Rot. Bonds14

About 1-N',1-N"-dicyclopentyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine

1-N',1-N"-dicyclopentyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine (PubChem CID 150472106) has the molecular formula C22H46N4 and a molecular weight of 366.64 g/mol. Its IUPAC name is 1-N',1-N"-dicyclopentyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine.

Molecular Properties

Compound Name1-N',1-N"-dicyclopentyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine
PubChem CID150472106
Molecular FormulaC22H46N4
Molecular Weight366.64 g/mol
Exact Mass366.37
IUPAC Name1-N',1-N"-dicyclopentyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine
SMILESCCCCCCCCC(NC)C(NC)(NC1CCCC1)NC1CCCC1
InChIInChI=1S/C22H46N4/c1-4-5-6-7-8-9-18-21(23-2)22(24-3,25-19-14-10-11-15-19)26-20-16-12-13-17-20/h19-21,23-26H,4-18H2,1-3H3
InChIKeyHSABTTXAYMWKJQ-UHFFFAOYSA-N
XLogP4.26
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.64
LogP ≤ 54.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 115846506
(4R)-N,3,3-trimethylnonan-4-amine
CID 126620511
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CID 135361664
2-cyclopentyl-N-methyldodecan-1-amine
CID 112569791
N-methyl-1-(4-methylcyclohexyl)nonan-1-amine
CID 63415649
N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945
2-methoxy-N,2-dimethyloctan-3-amine
CID 79198599
N-(6-methylundecan-6-yl)cyclopentanamine
CID 134356805
N-decan-4-ylcyclohexanamine
CID 175237913
1-cyclohexylheptylcyclohexane
CID 16404
hexadecan-8-ylcyclohexane
CID 91510029

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N"-dicyclopentyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine?
The IUPAC name of 1-N',1-N"-dicyclopentyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine (CID 150472106) is 1-N',1-N"-dicyclopentyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine.
What is the SMILES notation for 1-N',1-N"-dicyclopentyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine?
The canonical SMILES for 1-N',1-N"-dicyclopentyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine is CCCCCCCCC(NC)C(NC)(NC1CCCC1)NC1CCCC1.
What is the InChIKey of 1-N',1-N"-dicyclopentyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine?
The InChIKey is HSABTTXAYMWKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N4/c1-4-5-6-7-8-9-18-21(23-2)22(24-3,25-19-14-10-11-15-19)26-20-16-12-13-17-20/h19-21,23-26H,4-18H2,1-3H3.
What are the key properties of 1-N',1-N"-dicyclopentyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine?
1-N',1-N"-dicyclopentyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine has a molecular weight of 366.64 g/mol, XLogP of 4.26, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N"-dicyclopentyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine is sourced from PubChem (CID 150472106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).