1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine

C19H36N2 — CID 115317354

IUPAC1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)C(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H36N2/c1-13(2)18(20)5-6-21(4)14(3)19-10-15-7-16(11-19)9-17(8-15)12-19/h13-18H,5-12,20H2,1-4H3
InChIKeyDJFHLDBTCCPCFQ-UHFFFAOYSA-N
MW292.51 g/mol
LogP3.90
Rot. Bonds6

About 1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine

1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine (PubChem CID 115317354) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
PubChem CID115317354
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)C(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H36N2/c1-13(2)18(20)5-6-21(4)14(3)19-10-15-7-16(11-19)9-17(8-15)12-19/h13-18H,5-12,20H2,1-4H3
InChIKeyDJFHLDBTCCPCFQ-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride
CID 119659923
(1R)-1-(1-adamantyl)ethanamine
CID 7048786
1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine
CID 115317385
cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 99849762
1-(1-adamantyl)-2,2-dimethylpropan-1-amine
CID 12619343
(1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 166445853
1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine
CID 115317309
1-N,4-dimethyl-1-N-(2,4,4-trimethylcyclohexyl)pentane-1,3-diamine
CID 113285441
2-[1-(1-adamantyl)ethyl-(2-methylpropyl)amino]acetic acid
CID 65065266
1-propan-2-yladamantane;1-propan-2-ylbicyclo[1.1.1]pentane
CID 159977923
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 81491160

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine (CID 115317354) is 1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine is CC(C)C(N)CCN(C)C(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine?
The InChIKey is DJFHLDBTCCPCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-13(2)18(20)5-6-21(4)14(3)19-10-15-7-16(11-19)9-17(8-15)12-19/h13-18H,5-12,20H2,1-4H3.
What are the key properties of 1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine?
1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine has a molecular weight of 292.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 115317354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).