1-[3-(diethylamino)-2,2-dimethylpropyl]cyclopropan-1-amine

C12H26N2 — CID 115021570

IUPAC1-[3-(diethylamino)-2,2-dimethylpropyl]cyclopropan-1-amine
SMILESCCN(CC)CC(C)(C)CC1(N)CC1
InChIInChI=1S/C12H26N2/c1-5-14(6-2)10-11(3,4)9-12(13)7-8-12/h5-10,13H2,1-4H3
InChIKeyLPWAHSKCXNMNBC-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds6

About 1-[3-(diethylamino)-2,2-dimethylpropyl]cyclopropan-1-amine

1-[3-(diethylamino)-2,2-dimethylpropyl]cyclopropan-1-amine (PubChem CID 115021570) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-[3-(diethylamino)-2,2-dimethylpropyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(diethylamino)-2,2-dimethylpropyl]cyclopropan-1-amine
PubChem CID115021570
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-[3-(diethylamino)-2,2-dimethylpropyl]cyclopropan-1-amine
SMILESCCN(CC)CC(C)(C)CC1(N)CC1
InChIInChI=1S/C12H26N2/c1-5-14(6-2)10-11(3,4)9-12(13)7-8-12/h5-10,13H2,1-4H3
InChIKeyLPWAHSKCXNMNBC-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(diethylamino)-2,2-dimethylpropyl]cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-dimethylpropyl)cyclopropan-1-amine;hydrochloride
CID 51000356
N,N-diethyl-2,2-dimethylpentan-1-amine
CID 91350925
N,N-diethyl-3-methoxy-2,2-dimethylpropan-1-amine
CID 139968907
N,N-diethyl-2,2-dimethylpropan-1-amine;propane
CID 159791280
1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclobutan-1-amine
CID 79843833
N-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-N-ethylethanamine
CID 155794334
N,N,2-triethyl-2-methylbutan-1-amine
CID 130442149
4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine
CID 160537822
1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclopropan-1-amine
CID 107399406
1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine
CID 65458439
1-[[2,2-dimethyl-3-(propylamino)propyl]-ethylamino]-2-methylpropan-2-ol
CID 79377227
1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 158877241

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)-2,2-dimethylpropyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(diethylamino)-2,2-dimethylpropyl]cyclopropan-1-amine (CID 115021570) is 1-[3-(diethylamino)-2,2-dimethylpropyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(diethylamino)-2,2-dimethylpropyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(diethylamino)-2,2-dimethylpropyl]cyclopropan-1-amine is CCN(CC)CC(C)(C)CC1(N)CC1.
What is the InChIKey of 1-[3-(diethylamino)-2,2-dimethylpropyl]cyclopropan-1-amine?
The InChIKey is LPWAHSKCXNMNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-14(6-2)10-11(3,4)9-12(13)7-8-12/h5-10,13H2,1-4H3.
What are the key properties of 1-[3-(diethylamino)-2,2-dimethylpropyl]cyclopropan-1-amine?
1-[3-(diethylamino)-2,2-dimethylpropyl]cyclopropan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)-2,2-dimethylpropyl]cyclopropan-1-amine is sourced from PubChem (CID 115021570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).