1-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclopropan-1-amine

C12H26N2 — CID 65458888

IUPAC1-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclopropan-1-amine
SMILESCC(C)(C)CC(C)(C)NCC1(N)CC1
InChIInChI=1S/C12H26N2/c1-10(2,3)8-11(4,5)14-9-12(13)6-7-12/h14H,6-9,13H2,1-5H3
InChIKeyLVWCNXFDWAQBRZ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.28
Rot. Bonds4

About 1-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclopropan-1-amine

1-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclopropan-1-amine (PubChem CID 65458888) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclopropan-1-amine
PubChem CID65458888
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclopropan-1-amine
SMILESCC(C)(C)CC(C)(C)NCC1(N)CC1
InChIInChI=1S/C12H26N2/c1-10(2,3)8-11(4,5)14-9-12(13)6-7-12/h14H,6-9,13H2,1-5H3
InChIKeyLVWCNXFDWAQBRZ-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-Bis(2,4,4-trimethyl-2-pentyl)-ethylenediamine
CID 223882
Isopropyl-(1,1,3,3-tetramethyl-butyl)-amine
CID 21043847
Ethyl(2,4,4-trimethylpentan-2-yl)amine
CID 10630769
Sec-butyl-(1,1,3,3-tetramethyl-butyl)-amine
CID 43731181
1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 75382833
Acetonitrile, 2-[(1,1,3,3-tetramethylbutyl)amino]-
CID 415915
N'-fluoro-N-methyl-N'-(1-propylcyclopropyl)ethane-1,2-diamine
CID 146646361
Propyl(2,4,4-trimethylpentan-2-yl)amine
CID 43731285
Pentyl(2,4,4-trimethylpentan-2-yl)amine
CID 43731072
1-N,2-N-ditert-butyl-3,3-dimethylbutane-1,2-diamine
CID 15769079
(2S)-1-N-ethyl-3,3-dimethylbutane-1,2-diamine
CID 130522150
1-N-(2-amino-3,3-dimethylbutyl)-3,3-dimethylbutane-1,2-diamine
CID 135040342

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclopropan-1-amine (CID 65458888) is 1-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclopropan-1-amine is CC(C)(C)CC(C)(C)NCC1(N)CC1.
What is the InChIKey of 1-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclopropan-1-amine?
The InChIKey is LVWCNXFDWAQBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2,3)8-11(4,5)14-9-12(13)6-7-12/h14H,6-9,13H2,1-5H3.
What are the key properties of 1-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclopropan-1-amine?
1-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclopropan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclopropan-1-amine is sourced from PubChem (CID 65458888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).