2-propanimidoylcyclohexen-1-amine

C9H16N2 — CID 142125554

IUPAC2-propanimidoylcyclohexen-1-amine
SMILES[H]/N=C(\CC)C1=C(N)CCCC1
InChIInChI=1S/C9H16N2/c1-2-8(10)7-5-3-4-6-9(7)11/h10H,2-6,11H2,1H3/b10-8+
InChIKeySBMZDGZCXMFSAR-CSKARUKUSA-N
MW152.24 g/mol
LogP2.20
Rot. Bonds2

About 2-propanimidoylcyclohexen-1-amine

2-propanimidoylcyclohexen-1-amine (PubChem CID 142125554) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-propanimidoylcyclohexen-1-amine.

Molecular Properties

Compound Name2-propanimidoylcyclohexen-1-amine
PubChem CID142125554
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-propanimidoylcyclohexen-1-amine
SMILES[H]/N=C(\CC)C1=C(N)CCCC1
InChIInChI=1S/C9H16N2/c1-2-8(10)7-5-3-4-6-9(7)11/h10H,2-6,11H2,1H3/b10-8+
InChIKeySBMZDGZCXMFSAR-CSKARUKUSA-N
XLogP2.20
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,2,2-Trifluoroethanimidoyl)cyclohexen-1-amine
CID 144505445
Ethane;2-(2,2,2-trifluoroethanimidoyl)cyclohexen-1-amine
CID 145080841
2-Decyl-3,4-diiminocyclobuten-1-amine
CID 59755467
2-Dodecyl-3-iminocyclopropen-1-amine
CID 59755483
3,4,5-Triimino-2-propylcyclopenten-1-amine
CID 59755484
2-Decyl-3-iminocyclopropen-1-amine
CID 59755487
2-Butyl-3,4,5-triiminocyclopenten-1-amine
CID 59755492
3,4,5-Triimino-2-octylcyclopenten-1-amine
CID 59755494
3-Imino-2-octylcyclopropen-1-amine
CID 59755496
2-Dodecyl-3,4,5-triiminocyclopenten-1-amine
CID 59755497
2-Butyl-3,4-diiminocyclobuten-1-amine
CID 59755504
2-Dodecyl-3,4-diiminocyclobuten-1-amine
CID 59755506

Frequently Asked Questions

What is the IUPAC name of 2-propanimidoylcyclohexen-1-amine?
The IUPAC name of 2-propanimidoylcyclohexen-1-amine (CID 142125554) is 2-propanimidoylcyclohexen-1-amine.
What is the SMILES notation for 2-propanimidoylcyclohexen-1-amine?
The canonical SMILES for 2-propanimidoylcyclohexen-1-amine is [H]/N=C(\CC)C1=C(N)CCCC1.
What is the InChIKey of 2-propanimidoylcyclohexen-1-amine?
The InChIKey is SBMZDGZCXMFSAR-CSKARUKUSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-8(10)7-5-3-4-6-9(7)11/h10H,2-6,11H2,1H3/b10-8+.
What are the key properties of 2-propanimidoylcyclohexen-1-amine?
2-propanimidoylcyclohexen-1-amine has a molecular weight of 152.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propanimidoylcyclohexen-1-amine is sourced from PubChem (CID 142125554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).