N,N-bis(prop-2-enyl)propan-1-amine;hydrochloride

C9H18ClN — CID 21271344

IUPACN,N-bis(prop-2-enyl)propan-1-amine;hydrochloride
SMILESC=CCN(CC=C)CCC.Cl
InChIInChI=1S/C9H17N.ClH/c1-4-7-10(8-5-2)9-6-3;/h4-5H,1-2,6-9H2,3H3;1H
InChIKeyCDLQEKWHPCZICN-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.49
Rot. Bonds6

About N,N-bis(prop-2-enyl)propan-1-amine;hydrochloride

N,N-bis(prop-2-enyl)propan-1-amine;hydrochloride (PubChem CID 21271344) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)propan-1-amine;hydrochloride
PubChem CID21271344
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC NameN,N-bis(prop-2-enyl)propan-1-amine;hydrochloride
SMILESC=CCN(CC=C)CCC.Cl
InChIInChI=1S/C9H17N.ClH/c1-4-7-10(8-5-2)9-6-3;/h4-5H,1-2,6-9H2,3H3;1H
InChIKeyCDLQEKWHPCZICN-UHFFFAOYSA-N
XLogP2.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)propan-1-amine;hydrochloride?
The IUPAC name of N,N-bis(prop-2-enyl)propan-1-amine;hydrochloride (CID 21271344) is N,N-bis(prop-2-enyl)propan-1-amine;hydrochloride.
What is the SMILES notation for N,N-bis(prop-2-enyl)propan-1-amine;hydrochloride?
The canonical SMILES for N,N-bis(prop-2-enyl)propan-1-amine;hydrochloride is C=CCN(CC=C)CCC.Cl.
What is the InChIKey of N,N-bis(prop-2-enyl)propan-1-amine;hydrochloride?
The InChIKey is CDLQEKWHPCZICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.ClH/c1-4-7-10(8-5-2)9-6-3;/h4-5H,1-2,6-9H2,3H3;1H.
What are the key properties of N,N-bis(prop-2-enyl)propan-1-amine;hydrochloride?
N,N-bis(prop-2-enyl)propan-1-amine;hydrochloride has a molecular weight of 175.70 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 21271344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).