1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine

C16H34N2O — CID 43761171

IUPAC1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1CCCCC1OC
InChIInChI=1S/C16H34N2O/c1-5-18(6-2)13-9-10-14(3)17-15-11-7-8-12-16(15)19-4/h14-17H,5-13H2,1-4H3
InChIKeyKEZNSCPYUCSOIB-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.04
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine

1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine (PubChem CID 43761171) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine
PubChem CID43761171
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1CCCCC1OC
InChIInChI=1S/C16H34N2O/c1-5-18(6-2)13-9-10-14(3)17-15-11-7-8-12-16(15)19-4/h14-17H,5-13H2,1-4H3
InChIKeyKEZNSCPYUCSOIB-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexan-2-yl-2-methoxycyclohexan-1-amine
CID 62199829
2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile
CID 62741280
1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine
CID 79956626
N-butan-2-yl-2-methoxycyclopentan-1-amine
CID 62089078
4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine
CID 103438826
2-methoxy-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
CID 2850085
cis-(1R,2S)-2-methoxy-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine
CID 11871353
2-methoxy-N-pentan-3-ylcyclohexan-1-amine
CID 3126341
4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43761162
2-methoxy-N-propan-2-ylcyclopentan-1-amine
CID 62088372
cis-(1R,2S)-2-methoxy-N-propan-2-ylcyclopentan-1-amine
CID 94347863
N'-ethyl-N-(2-methoxycyclohexyl)-N'-propylethane-1,2-diamine
CID 114132445

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine (CID 43761171) is 1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine is CCN(CC)CCCC(C)NC1CCCCC1OC.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine?
The InChIKey is KEZNSCPYUCSOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-18(6-2)13-9-10-14(3)17-15-11-7-8-12-16(15)19-4/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine has a molecular weight of 270.46 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine is sourced from PubChem (CID 43761171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).