1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine

C18H32N2 — CID 79086954

IUPAC1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine
SMILESCCNC(CCCc1ccccc1)CCN(CC)CC
InChIInChI=1S/C18H32N2/c1-4-19-18(15-16-20(5-2)6-3)14-10-13-17-11-8-7-9-12-17/h7-9,11-12,18-19H,4-6,10,13-16H2,1-3H3
InChIKeyLODFFACNNWRFIN-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.72
Rot. Bonds11

About 1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine

1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine (PubChem CID 79086954) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine
PubChem CID79086954
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine
SMILESCCNC(CCCc1ccccc1)CCN(CC)CC
InChIInChI=1S/C18H32N2/c1-4-19-18(15-16-20(5-2)6-3)14-10-13-17-11-8-7-9-12-17/h7-9,11-12,18-19H,4-6,10,13-16H2,1-3H3
InChIKeyLODFFACNNWRFIN-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-N-ethyl-7-phenylheptan-4-amine
CID 105139776
1-(diethylamino)-6-phenylhexan-3-ol
CID 79086968
N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine
CID 105174493
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
N-ethyl-1-(furan-2-yl)-6-phenylhexan-3-amine
CID 105139753
1-(4-bromophenyl)-N-ethyl-5-phenylpentan-2-amine
CID 63412898
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694
1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 79087726
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine (CID 79086954) is 1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine is CCNC(CCCc1ccccc1)CCN(CC)CC.
What is the InChIKey of 1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine?
The InChIKey is LODFFACNNWRFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-4-19-18(15-16-20(5-2)6-3)14-10-13-17-11-8-7-9-12-17/h7-9,11-12,18-19H,4-6,10,13-16H2,1-3H3.
What are the key properties of 1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine?
1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.72, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine is sourced from PubChem (CID 79086954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).