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

C9H18N2O3 — CID 173177521

IUPACN,N-bis(prop-2-enyl)propan-1-amine;nitric acid
SMILESC=CCN(CC=C)CCC.O=[N+]([O-])O
InChIInChI=1S/C9H17N.HNO3/c1-4-7-10(8-5-2)9-6-3;2-1(3)4/h4-5H,1-2,6-9H2,3H3;(H,2,3,4)
InChIKeyHGNFHJCZDVPPMN-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.72
Rot. Bonds6

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

N,N-bis(prop-2-enyl)propan-1-amine;nitric acid (PubChem CID 173177521) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)propan-1-amine;nitric acid.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)propan-1-amine;nitric acid
PubChem CID173177521
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN,N-bis(prop-2-enyl)propan-1-amine;nitric acid
SMILESC=CCN(CC=C)CCC.O=[N+]([O-])O
InChIInChI=1S/C9H17N.HNO3/c1-4-7-10(8-5-2)9-6-3;2-1(3)4/h4-5H,1-2,6-9H2,3H3;(H,2,3,4)
InChIKeyHGNFHJCZDVPPMN-UHFFFAOYSA-N
XLogP1.72
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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;nitric acid?
The IUPAC name of N,N-bis(prop-2-enyl)propan-1-amine;nitric acid (CID 173177521) is N,N-bis(prop-2-enyl)propan-1-amine;nitric acid.
What is the SMILES notation for N,N-bis(prop-2-enyl)propan-1-amine;nitric acid?
The canonical SMILES for N,N-bis(prop-2-enyl)propan-1-amine;nitric acid is C=CCN(CC=C)CCC.O=[N+]([O-])O.
What is the InChIKey of N,N-bis(prop-2-enyl)propan-1-amine;nitric acid?
The InChIKey is HGNFHJCZDVPPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.HNO3/c1-4-7-10(8-5-2)9-6-3;2-1(3)4/h4-5H,1-2,6-9H2,3H3;(H,2,3,4).
What are the key properties of N,N-bis(prop-2-enyl)propan-1-amine;nitric acid?
N,N-bis(prop-2-enyl)propan-1-amine;nitric acid has a molecular weight of 202.25 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)propan-1-amine;nitric acid is sourced from PubChem (CID 173177521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).