N'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine

C9H16N2 — CID 79271656

IUPACN'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCNCC1CC1
InChIInChI=1S/C9H16N2/c1-2-5-10-6-7-11-8-9-3-4-9/h1,9-11H,3-8H2
InChIKeyNAZJDADXOMBMDX-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.21
Rot. Bonds6

About N'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine

N'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine (PubChem CID 79271656) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine
PubChem CID79271656
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCNCC1CC1
InChIInChI=1S/C9H16N2/c1-2-5-10-6-7-11-8-9-3-4-9/h1,9-11H,3-8H2
InChIKeyNAZJDADXOMBMDX-UHFFFAOYSA-N
XLogP0.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine (CID 79271656) is N'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine is C#CCNCCNCC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine?
The InChIKey is NAZJDADXOMBMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-5-10-6-7-11-8-9-3-4-9/h1,9-11H,3-8H2.
What are the key properties of N'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine?
N'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine has a molecular weight of 152.24 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine is sourced from PubChem (CID 79271656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).