N-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine

C13H27N — CID 126597968

IUPACN-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(CC1CC1)CC(C)(C)C
InChIInChI=1S/C13H27N/c1-11(2)8-14(9-12-6-7-12)10-13(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyBKCSKBONHBHXSK-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.40
Rot. Bonds5

About N-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine

N-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 126597968) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
PubChem CID126597968
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(CC1CC1)CC(C)(C)C
InChIInChI=1S/C13H27N/c1-11(2)8-14(9-12-6-7-12)10-13(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyBKCSKBONHBHXSK-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 79527297
4-[[bis(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 21470529
(2R)-1-[bis(cyclopropylmethyl)amino]propan-2-ol
CID 103935199
N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine
CID 21355618
N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63956910
3-[bis(2-methylpropyl)amino]-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64828074
N-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine
CID 79533480
bis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane)
CID 167643332
3-[[ethyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 63046464
1-[cyclopropylmethyl(ethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66336221
N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61378857
N-(cyclopropylmethyl)-4,4-dimethyl-N-methylsulfanylpentan-2-amine
CID 155008720

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine (CID 126597968) is N-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine is CC(C)CN(CC1CC1)CC(C)(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is BKCSKBONHBHXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-11(2)8-14(9-12-6-7-12)10-13(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
N-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 126597968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).