N'-(1-cyclopropylpropyl)-N',2,2-trimethylpropane-1,3-diamine

C12H26N2 — CID 79651995

IUPACN'-(1-cyclopropylpropyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCCC(C1CC1)N(C)CC(C)(C)CN
InChIInChI=1S/C12H26N2/c1-5-11(10-6-7-10)14(4)9-12(2,3)8-13/h10-11H,5-9,13H2,1-4H3
InChIKeyPXIVPNIUXHTLAW-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds6

About N'-(1-cyclopropylpropyl)-N',2,2-trimethylpropane-1,3-diamine

N'-(1-cyclopropylpropyl)-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 79651995) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-(1-cyclopropylpropyl)-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-cyclopropylpropyl)-N',2,2-trimethylpropane-1,3-diamine
PubChem CID79651995
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-(1-cyclopropylpropyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCCC(C1CC1)N(C)CC(C)(C)CN
InChIInChI=1S/C12H26N2/c1-5-11(10-6-7-10)14(4)9-12(2,3)8-13/h10-11H,5-9,13H2,1-4H3
InChIKeyPXIVPNIUXHTLAW-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,3,3-tetramethyl-1-(oxan-4-yl)butane-1,4-diamine
CID 116905772
(1S)-1-cyclopropyl-N-methyl-N-propan-2-ylpropan-1-amine
CID 166781329
N'-cyclopropyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 62264209
1-N-(1-cyclopropylethyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79810726
4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine
CID 116907222
N',2,2-trimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718331
1-cyclopropyl-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602779
4-[1-cyclopropylpropyl(methyl)amino]butanoic acid
CID 65067773
N-(3-amino-2,2-dimethylpropyl)-2-cyclopentyloxy-N-methylbutanamide
CID 119653436
1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine
CID 116651334
N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668549
4-ethyl-2,2-dimethylhexan-1-amine
CID 82930453

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropylpropyl)-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(1-cyclopropylpropyl)-N',2,2-trimethylpropane-1,3-diamine (CID 79651995) is N'-(1-cyclopropylpropyl)-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-cyclopropylpropyl)-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(1-cyclopropylpropyl)-N',2,2-trimethylpropane-1,3-diamine is CCC(C1CC1)N(C)CC(C)(C)CN.
What is the InChIKey of N'-(1-cyclopropylpropyl)-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is PXIVPNIUXHTLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-11(10-6-7-10)14(4)9-12(2,3)8-13/h10-11H,5-9,13H2,1-4H3.
What are the key properties of N'-(1-cyclopropylpropyl)-N',2,2-trimethylpropane-1,3-diamine?
N'-(1-cyclopropylpropyl)-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropylpropyl)-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79651995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).