N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine

C16H35N3 — CID 79660581

IUPACN'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine
SMILESCCCN1CCCC(N(CC)CC(C)(C)CN)CC1
InChIInChI=1S/C16H35N3/c1-5-10-18-11-7-8-15(9-12-18)19(6-2)14-16(3,4)13-17/h15H,5-14,17H2,1-4H3
InChIKeyBTRMQIIBGHWNIT-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.56
Rot. Bonds7

About N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine (PubChem CID 79660581) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine
PubChem CID79660581
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine
SMILESCCCN1CCCC(N(CC)CC(C)(C)CN)CC1
InChIInChI=1S/C16H35N3/c1-5-10-18-11-7-8-15(9-12-18)19(6-2)14-16(3,4)13-17/h15H,5-14,17H2,1-4H3
InChIKeyBTRMQIIBGHWNIT-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 62264209
N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668549
N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660402
N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine
CID 79660758
N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65077334
N'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine
CID 106820709
N'-ethyl-N,N-dimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine
CID 2846519
4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65247436
2-methyl-2-[methyl-(1-propylazepan-4-yl)amino]propanoic acid
CID 65077247
2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 62263340
1-(2-aminoethyl)-N,N-diethylazepan-3-amine
CID 14210025
N-ethyl-N-(2-methylprop-2-enyl)-1-propylpiperidin-4-amine
CID 783901

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine (CID 79660581) is N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine is CCCN1CCCC(N(CC)CC(C)(C)CN)CC1.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine?
The InChIKey is BTRMQIIBGHWNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-5-10-18-11-7-8-15(9-12-18)19(6-2)14-16(3,4)13-17/h15H,5-14,17H2,1-4H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 79660581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).