N'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine

C16H30N2 — CID 113285775

IUPACN'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H30N2/c1-18(5-2-4-17)6-3-16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15H,2-12,17H2,1H3
InChIKeyQQQFVVWRGZMPBL-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.87
Rot. Bonds6

About N'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine

N'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine (PubChem CID 113285775) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine
PubChem CID113285775
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H30N2/c1-18(5-2-4-17)6-3-16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15H,2-12,17H2,1H3
InChIKeyQQQFVVWRGZMPBL-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol
CID 114230783
N',N'-bis(1-adamantyl)propane-1,3-diamine
CID 139912935
methyl 3-[2-(1-adamantyl)ethyl-methylamino]propanoate
CID 63468846
2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 79702615
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
N,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine
CID 153425161
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
CID 145273852
5-(1-adamantyl)-3-methylpentan-1-amine
CID 10399188
2-[2-(1-adamantyl)ethyl-butylamino]ethanol
CID 60689159
3-[3-aminopropyl(methyl)amino]propane-1-thiol
CID 88890583
N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine
CID 167586856

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine (CID 113285775) is N'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine is CN(CCCN)CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine?
The InChIKey is QQQFVVWRGZMPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-18(5-2-4-17)6-3-16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15H,2-12,17H2,1H3.
What are the key properties of N'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine?
N'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine has a molecular weight of 250.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 113285775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).