4-N-(2-adamantyl)-1-N,1-N-diethylpentane-1,4-diamine

C19H36N2 — CID 43406667

IUPAC4-N-(2-adamantyl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H36N2/c1-4-21(5-2)8-6-7-14(3)20-19-17-10-15-9-16(12-17)13-18(19)11-15/h14-20H,4-13H2,1-3H3
InChIKeyWFPDFIWUFZYDPT-UHFFFAOYSA-N
MW292.51 g/mol
LogP3.91
Rot. Bonds8

About 4-N-(2-adamantyl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(2-adamantyl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 43406667) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 4-N-(2-adamantyl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-adamantyl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID43406667
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name4-N-(2-adamantyl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H36N2/c1-4-21(5-2)8-6-7-14(3)20-19-17-10-15-9-16(12-17)13-18(19)11-15/h14-20H,4-13H2,1-3H3
InChIKeyWFPDFIWUFZYDPT-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine
CID 103438826
N,N-diethyl-4-hydrazinylpentan-1-amine
CID 143055875
1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine
CID 64754640
4-N-(dicyclopropylmethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43362773
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine
CID 79956626
1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine
CID 43761171
4-[5-(diethylamino)pentan-2-ylamino]-1,1-dioxothiolan-3-ol
CID 60665955
2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile
CID 62741280
5-[(1S)-1-(2-adamantylamino)-2-methylpropyl]nonan-5-ol
CID 101471977
1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
CID 60689920
1-(2-adamantylamino)ethanol
CID 142760557

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-adamantyl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(2-adamantyl)-1-N,1-N-diethylpentane-1,4-diamine (CID 43406667) is 4-N-(2-adamantyl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(2-adamantyl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(2-adamantyl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 4-N-(2-adamantyl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is WFPDFIWUFZYDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-4-21(5-2)8-6-7-14(3)20-19-17-10-15-9-16(12-17)13-18(19)11-15/h14-20H,4-13H2,1-3H3.
What are the key properties of 4-N-(2-adamantyl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(2-adamantyl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 292.51 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-adamantyl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 43406667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).