3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine

C18H39N3 — CID 105414347

IUPAC3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine
SMILESCCCNC(CCC)C(CC)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C18H39N3/c1-7-11-16(19-14-8-2)17(9-3)21(6)15-18(20(4)5)12-10-13-18/h16-17,19H,7-15H2,1-6H3
InChIKeyGMVVRIPBLMRCMA-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.35
Rot. Bonds11

About 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine

3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine (PubChem CID 105414347) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine.

Molecular Properties

Compound Name3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine
PubChem CID105414347
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Name3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine
SMILESCCCNC(CCC)C(CC)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C18H39N3/c1-7-11-16(19-14-8-2)17(9-3)21(6)15-18(20(4)5)12-10-13-18/h16-17,19H,7-15H2,1-6H3
InChIKeyGMVVRIPBLMRCMA-UHFFFAOYSA-N
XLogP3.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-Bis(2-heptyl)-ethylenediamine
CID 469909
1,2,3-Propanetriamine, N(sup 1),N(sup 3)-bis(2-ethylhexyl)-N(sup 1),2-dimethyl-
CID 107182
1-N,2-N-didodecyl-2-methylpropane-1,2-diamine
CID 53848715
Dioctyl trioctyl diethylenetriamine
CID 129672181
(5R,6S)-5-N,6-N-ditert-butyldecane-5,6-diamine
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(2S)-1-N,2-N-ditert-butyldecane-1,2-diamine
CID 134927331
N,N-dimethyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclobutan-1-amine
CID 113714173
N~1~-Cyclobutyl-N~2~-octadecylethane-1,2-diamine
CID 16076588
N~1~-Cyclobutyl-N~2~-undecylethane-1,2-diamine
CID 16076589
(2S)-3-methyl-1-N,1-N-dioctylbutane-1,2-diamine
CID 102052521
1-N-[1-(didodecylamino)propan-2-yl]propane-1,2-diamine
CID 14671022
3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine;octane
CID 18320903

Frequently Asked Questions

What is the IUPAC name of 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine?
The IUPAC name of 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine (CID 105414347) is 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine.
What is the SMILES notation for 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine?
The canonical SMILES for 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine is CCCNC(CCC)C(CC)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine?
The InChIKey is GMVVRIPBLMRCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-7-11-16(19-14-8-2)17(9-3)21(6)15-18(20(4)5)12-10-13-18/h16-17,19H,7-15H2,1-6H3.
What are the key properties of 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine?
3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine has a molecular weight of 297.53 g/mol, XLogP of 3.35, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine is sourced from PubChem (CID 105414347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).