(2S)-2-amino-N'-propan-2-ylpropanimidamide

C6H15N3 — CID 153012728

IUPAC(2S)-2-amino-N'-propan-2-ylpropanimidamide
SMILESCC(C)/N=C(\N)[C@H](C)N
InChIInChI=1S/C6H15N3/c1-4(2)9-6(8)5(3)7/h4-5H,7H2,1-3H3,(H2,8,9)/t5-/m0/s1
InChIKeyVAJHTSWHMVDTFZ-YFKPBYRVSA-N
MW129.21 g/mol
LogP0.10
Rot. Bonds2

About (2S)-2-amino-N'-propan-2-ylpropanimidamide

(2S)-2-amino-N'-propan-2-ylpropanimidamide (PubChem CID 153012728) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is (2S)-2-amino-N'-propan-2-ylpropanimidamide.

Molecular Properties

Compound Name(2S)-2-amino-N'-propan-2-ylpropanimidamide
PubChem CID153012728
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name(2S)-2-amino-N'-propan-2-ylpropanimidamide
SMILESCC(C)/N=C(\N)[C@H](C)N
InChIInChI=1S/C6H15N3/c1-4(2)9-6(8)5(3)7/h4-5H,7H2,1-3H3,(H2,8,9)/t5-/m0/s1
InChIKeyVAJHTSWHMVDTFZ-YFKPBYRVSA-N
XLogP0.10
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-propan-2-ylbutanimidamide
CID 63717629
2-methoxy-3,3-dimethyl-N'-propan-2-ylbutanimidamide
CID 116732354
2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide
CID 116732358
2-(1-aminoethyl)guanidine;hydrochloride
CID 55285511
2,2,2-trichloro-N'-propan-2-ylethanimidamide
CID 119096622
2-propan-2-ylguanidine;sulfuric acid
CID 11644095
(3R)-but-1-ene-2,3-diamine
CID 142167658
(2R)-2-aminopropanethioamide
CID 55285662
4-methyl-N'-propan-2-ylpentanimidamide
CID 63181653
2-(3,4-dihydroxyphenyl)-2-hydroxy-N'-propan-2-ylethanimidamide
CID 45093796
2-aminopropanamide;dihydrochloride
CID 19963402
2-aminopropanamide;ethane
CID 156828005

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N'-propan-2-ylpropanimidamide?
The IUPAC name of (2S)-2-amino-N'-propan-2-ylpropanimidamide (CID 153012728) is (2S)-2-amino-N'-propan-2-ylpropanimidamide.
What is the SMILES notation for (2S)-2-amino-N'-propan-2-ylpropanimidamide?
The canonical SMILES for (2S)-2-amino-N'-propan-2-ylpropanimidamide is CC(C)/N=C(\N)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N'-propan-2-ylpropanimidamide?
The InChIKey is VAJHTSWHMVDTFZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H15N3/c1-4(2)9-6(8)5(3)7/h4-5H,7H2,1-3H3,(H2,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N'-propan-2-ylpropanimidamide?
(2S)-2-amino-N'-propan-2-ylpropanimidamide has a molecular weight of 129.21 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N'-propan-2-ylpropanimidamide is sourced from PubChem (CID 153012728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).