N-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine

C14H26N2 — CID 118013747

IUPACN-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine
SMILESC=CCNCC1CCCC(CNCC=C)C1
InChIInChI=1S/C14H26N2/c1-3-8-15-11-13-6-5-7-14(10-13)12-16-9-4-2/h3-4,13-16H,1-2,5-12H2
InChIKeyRCLQHGGEGLTMSO-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.34
Rot. Bonds8

About N-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine

N-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine (PubChem CID 118013747) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine
PubChem CID118013747
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine
SMILESC=CCNCC1CCCC(CNCC=C)C1
InChIInChI=1S/C14H26N2/c1-3-8-15-11-13-6-5-7-14(10-13)12-16-9-4-2/h3-4,13-16H,1-2,5-12H2
InChIKeyRCLQHGGEGLTMSO-UHFFFAOYSA-N
XLogP2.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine?
The IUPAC name of N-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine (CID 118013747) is N-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine is C=CCNCC1CCCC(CNCC=C)C1.
What is the InChIKey of N-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine?
The InChIKey is RCLQHGGEGLTMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-3-8-15-11-13-6-5-7-14(10-13)12-16-9-4-2/h3-4,13-16H,1-2,5-12H2.
What are the key properties of N-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine?
N-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine has a molecular weight of 222.38 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 118013747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).