N-[(3S)-2,7-diaminohept-1-en-3-yl]formamide

C8H17N3O — CID 122582267

IUPACN-[(3S)-2,7-diaminohept-1-en-3-yl]formamide
SMILESC=C(N)[C@H](CCCCN)NC=O
InChIInChI=1S/C8H17N3O/c1-7(10)8(11-6-12)4-2-3-5-9/h6,8H,1-5,9-10H2,(H,11,12)/t8-/m0/s1
InChIKeySUQAOZOAKXMWLT-QMMMGPOBSA-N
MW171.24 g/mol
LogP-0.30
Rot. Bonds7

About N-[(3S)-2,7-diaminohept-1-en-3-yl]formamide

N-[(3S)-2,7-diaminohept-1-en-3-yl]formamide (PubChem CID 122582267) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[(3S)-2,7-diaminohept-1-en-3-yl]formamide.

Molecular Properties

Compound NameN-[(3S)-2,7-diaminohept-1-en-3-yl]formamide
PubChem CID122582267
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-[(3S)-2,7-diaminohept-1-en-3-yl]formamide
SMILESC=C(N)[C@H](CCCCN)NC=O
InChIInChI=1S/C8H17N3O/c1-7(10)8(11-6-12)4-2-3-5-9/h6,8H,1-5,9-10H2,(H,11,12)/t8-/m0/s1
InChIKeySUQAOZOAKXMWLT-QMMMGPOBSA-N
XLogP-0.30
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,7-diaminohept-1-en-3-yl]formamide?
The IUPAC name of N-[(3S)-2,7-diaminohept-1-en-3-yl]formamide (CID 122582267) is N-[(3S)-2,7-diaminohept-1-en-3-yl]formamide.
What is the SMILES notation for N-[(3S)-2,7-diaminohept-1-en-3-yl]formamide?
The canonical SMILES for N-[(3S)-2,7-diaminohept-1-en-3-yl]formamide is C=C(N)[C@H](CCCCN)NC=O.
What is the InChIKey of N-[(3S)-2,7-diaminohept-1-en-3-yl]formamide?
The InChIKey is SUQAOZOAKXMWLT-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7(10)8(11-6-12)4-2-3-5-9/h6,8H,1-5,9-10H2,(H,11,12)/t8-/m0/s1.
What are the key properties of N-[(3S)-2,7-diaminohept-1-en-3-yl]formamide?
N-[(3S)-2,7-diaminohept-1-en-3-yl]formamide has a molecular weight of 171.24 g/mol, XLogP of -0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,7-diaminohept-1-en-3-yl]formamide is sourced from PubChem (CID 122582267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).