1-[(E)-1-amino-2,2-dimethylpent-3-enyl]cyclopropan-1-amine

C10H20N2 — CID 163712431

IUPAC1-[(E)-1-amino-2,2-dimethylpent-3-enyl]cyclopropan-1-amine
SMILESC/C=C/C(C)(C)C(N)C1(N)CC1
InChIInChI=1S/C10H20N2/c1-4-5-9(2,3)8(11)10(12)6-7-10/h4-5,8H,6-7,11-12H2,1-3H3/b5-4+
InChIKeyKKKSWINAXLSDKF-SNAWJCMRSA-N
MW168.28 g/mol
LogP1.41
Rot. Bonds3

About 1-[(E)-1-amino-2,2-dimethylpent-3-enyl]cyclopropan-1-amine

1-[(E)-1-amino-2,2-dimethylpent-3-enyl]cyclopropan-1-amine (PubChem CID 163712431) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-[(E)-1-amino-2,2-dimethylpent-3-enyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(E)-1-amino-2,2-dimethylpent-3-enyl]cyclopropan-1-amine
PubChem CID163712431
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-[(E)-1-amino-2,2-dimethylpent-3-enyl]cyclopropan-1-amine
SMILESC/C=C/C(C)(C)C(N)C1(N)CC1
InChIInChI=1S/C10H20N2/c1-4-5-9(2,3)8(11)10(12)6-7-10/h4-5,8H,6-7,11-12H2,1-3H3/b5-4+
InChIKeyKKKSWINAXLSDKF-SNAWJCMRSA-N
XLogP1.41
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4E,8E)-2,2-dimethyltrideca-4,8-diene-1,11-diamine
CID 20209203
(4E,8E)-2,2-dimethyldodeca-4,8-diene-1,11-diamine
CID 20209206
(4E,8E)-2,2,11-trimethyldodeca-4,8-diene-1,11-diamine
CID 20209210
2,2,11-Trimethyldodeca-4,8-diene-1,11-diamine
CID 53702910
2,2-Dimethyltrideca-4,8-diene-1,11-diamine
CID 53836262
2,2-Dimethyldodeca-4,8-diene-1,11-diamine
CID 54042636
3,6-Dimethylcyclohex-4-ene-1,2-diamine
CID 118398668
Spiro[2.5]oct-5-en-8-amine
CID 118562975
1-(1-Ethylcyclopropyl)but-3-en-1-amine
CID 123497016
4-Ethyl-1-(1-ethylcyclopropyl)-5-methylhex-3-en-1-amine
CID 123812126
(Z)-2,2-dimethylhept-5-en-3-amine
CID 129125632
(E)-6,6-dimethylhept-2-en-4-amine
CID 131559703

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-amino-2,2-dimethylpent-3-enyl]cyclopropan-1-amine?
The IUPAC name of 1-[(E)-1-amino-2,2-dimethylpent-3-enyl]cyclopropan-1-amine (CID 163712431) is 1-[(E)-1-amino-2,2-dimethylpent-3-enyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(E)-1-amino-2,2-dimethylpent-3-enyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(E)-1-amino-2,2-dimethylpent-3-enyl]cyclopropan-1-amine is C/C=C/C(C)(C)C(N)C1(N)CC1.
What is the InChIKey of 1-[(E)-1-amino-2,2-dimethylpent-3-enyl]cyclopropan-1-amine?
The InChIKey is KKKSWINAXLSDKF-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-5-9(2,3)8(11)10(12)6-7-10/h4-5,8H,6-7,11-12H2,1-3H3/b5-4+.
What are the key properties of 1-[(E)-1-amino-2,2-dimethylpent-3-enyl]cyclopropan-1-amine?
1-[(E)-1-amino-2,2-dimethylpent-3-enyl]cyclopropan-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-amino-2,2-dimethylpent-3-enyl]cyclopropan-1-amine is sourced from PubChem (CID 163712431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).